N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide

C14H17ClN2O2 — CID 91393967

IUPACN-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide
SMILESNC(=O)C1(NC(=O)C2=C(Cl)C=CCC=C2)CCCC1
InChIInChI=1S/C14H17ClN2O2/c15-11-7-3-1-2-6-10(11)12(18)17-14(13(16)19)8-4-5-9-14/h2-3,6-7H,1,4-5,8-9H2,(H2,16,19)(H,17,18)
InChIKeyUFUROIOVFAXPQJ-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.91
Rot. Bonds3

About N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide

N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 91393967) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide
PubChem CID91393967
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide
SMILESNC(=O)C1(NC(=O)C2=C(Cl)C=CCC=C2)CCCC1
InChIInChI=1S/C14H17ClN2O2/c15-11-7-3-1-2-6-10(11)12(18)17-14(13(16)19)8-4-5-9-14/h2-3,6-7H,1,4-5,8-9H2,(H2,16,19)(H,17,18)
InChIKeyUFUROIOVFAXPQJ-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583
2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 13474728
N-(1-carbamoylcyclopentyl)-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 138806778
1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
CID 130608806
N-(1-carbamoylcyclohexyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 154736486
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
CID 166334401
N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125446606
1-acetamidocyclobutane-1-carboxamide
CID 58720910
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
CID 61118936

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide (CID 91393967) is N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide is NC(=O)C1(NC(=O)C2=C(Cl)C=CCC=C2)CCCC1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is UFUROIOVFAXPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-7-3-1-2-6-10(11)12(18)17-14(13(16)19)8-4-5-9-14/h2-3,6-7H,1,4-5,8-9H2,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide?
N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-2-chlorocyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 91393967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).